3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide
TL;DR: 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide (CAS 866038-67-7) is a chemical compound with molecular formula C25H19ClN2S and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole
Also Known As: 5K-529S, 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide, 2-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole, 2-{[(3-chlorophenyl)methyl]sulfanyl}-4,5-diphenyl-1-(prop-2-yn-1-yl)-1H-imidazole, 2-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynyl-imidazole
| Molecular Formula | C25H19ClN2S |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 6.796 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.09573 |
| Heavy Atoms | 29 |
| Complexity | 1144.6693 |
Chemical Identifiers
| CAS Number | 866038-67-7 |
|---|---|
| SMILES | C#CCN1C(=C(N=C1SCC2=CC(=CC=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide (CAS 866038-67-7), with molecular formula C25H19ClN2S and molecular weight 414.10 g/mol. IUPAC: 2-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole.
Chemical Property Profile of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide
Property Insights of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide
The XLogP value of 6.796 indicates that 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide?
The CAS number of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide is 866038-67-7.
What is the molecular formula of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide?
The molecular formula of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide is C25H19ClN2S.
What is the molecular weight of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide?
The molecular weight of 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide is 414.10 g/mol.
Where can I buy 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide?
You can request a quote for 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-chlorobenzyl 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.